Chlorine in PDB 7r4c: Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)

All present enzymatic activity of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map):
1.6.5.3; 1.6.99.3; 7.1.1.2;

The structure of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Potassium	(K)	1 atom
Iodine	(I)	2 atoms
Iron	(Fe)	28 atoms
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) (pdb code 7r4c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map), PDB code: 7r4c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl602 b:54.3 occ:1.00 CL01 H:I49602 0.0 54.3 1.0 C12 H:I49602 1.7 54.3 1.0 C10 H:I49602 2.7 54.3 1.0 C13 H:I49602 2.7 54.3 1.0 O H:PRO48 3.0 39.1 1.0 I02 H:I49602 3.3 54.3 1.0 CA H:PRO48 3.8 39.1 1.0 C H:PRO48 3.8 39.1 1.0 CB H:PRO48 3.9 39.1 1.0 C07 H:I49602 4.0 54.3 1.0 C11 H:I49602 4.0 54.3 1.0 N H:ALA52 4.0 41.4 1.0 OG1 H:THR21 4.1 40.8 1.0 CB H:ALA52 4.1 41.4 1.0 CB H:ASP51 4.1 41.5 1.0 O H:ALA18 4.2 38.5 1.0 CA H:ALA18 4.3 38.5 1.0 CB H:ALA18 4.3 38.5 1.0 CA H:ALA52 4.4 41.4 1.0 C09 H:I49602 4.5 54.3 1.0 C H:ASP51 4.7 41.5 1.0 C H:ALA18 4.7 38.5 1.0 CG2 H:THR21 4.8 40.8 1.0 CA H:ASP51 5.0 41.5 1.0 CB H:THR21 5.0 40.8 1.0

Chlorine binding site 2 out of 2 in the Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bovine Complex I in the Presence of IM1761092, Deactive Class V (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ N:Cl903 b:57.3 occ:1.00 CL01 N:I49903 0.0 57.3 1.0 C12 N:I49903 1.7 57.3 1.0 C10 N:I49903 2.7 57.3 1.0 C13 N:I49903 2.7 57.3 1.0 I02 N:I49903 3.4 57.3 1.0 CB d:ARG86 3.7 44.3 1.0 O d:MET82 3.7 44.6 1.0 CA d:ARG86 3.8 44.3 1.0 N d:ARG86 3.9 44.3 1.0 CE d:MET82 4.0 44.6 1.0 C07 N:I49903 4.0 57.3 1.0 C11 N:I49903 4.0 57.3 1.0 CG1 d:VAL85 4.2 45.5 1.0 CG d:ARG86 4.5 44.3 1.0 C09 N:I49903 4.5 57.3 1.0 NE1 h:TRP122 4.5 45.8 1.0 C d:VAL85 4.6 45.5 1.0 OE2 N:GLU347 4.7 46.1 1.0 CB d:VAL85 4.8 45.5 1.0 C d:MET82 4.8 44.6 1.0 CB N:GLU347 4.8 46.1 1.0 OD2 d:ASP89 4.9 46.6 1.0 O d:VAL85 5.0 45.5 1.0

H.R.Bridges, J.N.Blaza, Z.Yin, I.Chung, M.N.Pollak, J.Hirst. Structural Basis of Mammalian Respiratory Complex I Inhibition By Medicinal Biguanides. Science V. 379 351 2023.
ISSN: ESSN 1095-9203
PubMed: 36701435
DOI: 10.1126/SCIENCE.ADE3332